2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide

C12H17NO3 — CID 54758532

IUPAC2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide
SMILESCCC(C)Oc1ccc(CC(=O)NO)cc1
InChIInChI=1S/C12H17NO3/c1-3-9(2)16-11-6-4-10(5-7-11)8-12(14)13-15/h4-7,9,15H,3,8H2,1-2H3,(H,13,14)
InChIKeyTWTMAFTUABPIAE-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.91
Rot. Bonds5

About 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide

2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide (PubChem CID 54758532) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide
PubChem CID54758532
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide
SMILESCCC(C)Oc1ccc(CC(=O)NO)cc1
InChIInChI=1S/C12H17NO3/c1-3-9(2)16-11-6-4-10(5-7-11)8-12(14)13-15/h4-7,9,15H,3,8H2,1-2H3,(H,13,14)
InChIKeyTWTMAFTUABPIAE-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Bufexamac
CID 2466
Desisopropylatenolol
CID 14211540
2-(4-Methoxyphenyl)acetamide
CID 241868
4-Butoxybenzeneacetamide
CID 76952
Acetohydroxamic acid, (p-propoxy)phenyl-
CID 25922
N-hydroxy-7-(4-phenylphenoxy)heptanamide
CID 22915465
2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide
CID 44386193
N-hydroxy-7-(naphthalen-2-yloxy)heptanamide
CID 16655084
N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide
CID 10858374
N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide
CID 10923922
2-(4-Benzyloxy-phenyl)-N-hydroxy-acetamide
CID 14545018
3-isobutyl-4-(4-(3-methyl-2-butenyloxy)phenyl)-1H-pyrrol-1-ol-2,5-dione
CID 641729

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide?
The IUPAC name of 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide (CID 54758532) is 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide?
The canonical SMILES for 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide is CCC(C)Oc1ccc(CC(=O)NO)cc1.
What is the InChIKey of 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide?
The InChIKey is TWTMAFTUABPIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-9(2)16-11-6-4-10(5-7-11)8-12(14)13-15/h4-7,9,15H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide?
2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide has a molecular weight of 223.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide is sourced from PubChem (CID 54758532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).